Molecule ID: mol9697
SMILES: Cn1c(=O)[nH]c2[nH]c(=O)[nH]c2c1=O
InChI: InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.75 | IUPAC digitized pKa | 0 » -1 |
| 10.60 | IUPAC digitized pKa | -1 » -2 |